The synonyms of the compound are 3-[phenyl(prop-2-en-1-yl)sulfamoyl]benzoic acid, 750613-84-4, 3-(Allyl-phenyl-sulfamoyl)-benzoic acid, MLS000570026, and 3-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid.
What is the molecular weight of the compound?
The molecular weight of the compound is 317.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C16H15NO4S/c1-2-11-17(14-8-4-3-5-9-14)22(20,21)15-10-6-7-13(12-15)16(18)19/h2-10,12H,1,11H2,(H,18,19).
What is the InChIKey of the compound?
The InChIKey of the compound is FOCXDNHATGXDNM-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.8.
How many hydrogen bond donor count does the compound have?
The compound has 1 hydrogen bond donor count.
How many rotatable bond count does the compound have?
The compound has 6 rotatable bond count.
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